smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)=CCc1cc(-c2cc(=O)c3c([O-])cc([O-])c(CC=C(C)C)c3o2)cc(O)c1O ZINC000014727566 291287151 /nfs/dbraw/zinc/28/71/51/291287151.db2.gz QLZMBCVLWOJASJ-UHFFFAOYSA-N -2 3 422.477 5.300 10 10 HKCEHL